2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole

C12H15NO4 — CID 160797416

IUPAC2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2=NCCO2)c(OC)c1OC
InChIInChI=1S/C12H15NO4/c1-14-9-5-4-8(12-13-6-7-17-12)10(15-2)11(9)16-3/h4-5H,6-7H2,1-3H3
InChIKeyCKHLHADKQRIXPU-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.49
Rot. Bonds4

About 2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole

2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 160797416) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID160797416
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2=NCCO2)c(OC)c1OC
InChIInChI=1S/C12H15NO4/c1-14-9-5-4-8(12-13-6-7-17-12)10(15-2)11(9)16-3/h4-5H,6-7H2,1-3H3
InChIKeyCKHLHADKQRIXPU-UHFFFAOYSA-N
XLogP1.49
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole (CID 160797416) is 2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole is COc1ccc(C2=NCCO2)c(OC)c1OC.
What is the InChIKey of 2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is CKHLHADKQRIXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-14-9-5-4-8(12-13-6-7-17-12)10(15-2)11(9)16-3/h4-5H,6-7H2,1-3H3.
What are the key properties of 2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole?
2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 237.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 160797416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).